[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

C14H19N3O5 — CID 2424785

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCN(C(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H19N3O5/c1-17(9-5-3-2-4-6-9)12(19)8-22-13(20)10-7-11(18)16-14(21)15-10/h7,9H,2-6,8H2,1H3,(H2,15,16,18,21)
InChIKeySYTKFEROTOHOMQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.01
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 2424785) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID2424785
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCN(C(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H19N3O5/c1-17(9-5-3-2-4-6-9)12(19)8-22-13(20)10-7-11(18)16-14(21)15-10/h7,9H,2-6,8H2,1H3,(H2,15,16,18,21)
InChIKeySYTKFEROTOHOMQ-UHFFFAOYSA-N
XLogP0.01
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 2424785) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is CN(C(=O)COC(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is SYTKFEROTOHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-17(9-5-3-2-4-6-9)12(19)8-22-13(20)10-7-11(18)16-14(21)15-10/h7,9H,2-6,8H2,1H3,(H2,15,16,18,21).
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 2424785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).